4-[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]acetyl]amino]benzoic acid CAS Name: 4-[[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[1,3-benzodioxol-5-yl(esyl)amino]acetyl]amino]benzoic acid Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H18N2O7S/c1-2-28(24,25)20(14-7-8-15-16(9-14)27-11-26-15)10-17(21)19-13-5-3-12(4-6-13)18(22)23/h3-9H,2,10-11H2,1H3,(H,19,21)(H,22,23)